| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:20 UTC |
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| Update Date | 2025-03-25 01:01:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250178 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9O4+ |
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| Molecular Mass | 217.0495 |
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| SMILES | O=C(O)c1cccc(-c2cccc(O)c2)[o+]1 |
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| InChI Key | MLXDTYSKKPKGRM-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic cationorganoheterocyclic compoundorganooxygen compound |
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